기본 정보
- CAS
606963-09-1- 표준 SMILES
CCOCCCn1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3cc(C)ccc3nc21- InChIKey
BNSHWEKHNGIVJJ-UHFFFAOYSA-N- 분자식
- C24H26N4O4S
- 평균 분자량
- 466.6 g/mol
이름 및 식별자
- 우선 이름
- 1-(3-ethoxypropyl)-2-imino-8-methyl-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one
- IUPAC
- 7-(3-ethoxypropyl)-6-imino-13-methyl-5-(4-methylphenyl)sulfonyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
- 영어명
- 1-(3-ethoxypropyl)-2-imino-8-methyl-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one
- 분자식
- C24H26N4O4S
- 분자량
- 466.55
이름 및 동의어
606963-09-11-(3-ethoxypropyl)-2-imino-8-methyl-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one1-(3-ethoxypropyl)-2-imino-8-methyl-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-oneSMR000620274MLS000948034MLS003878614CHEMBL1460113HMS2887E15STK586261AKOS001654918EBC-5611977-(3-Ethoxypropyl)-6-imino-13-methyl-5-(4-methylphenyl)sulfonyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
이름 더 보기
5H-Dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 1-(3-ethoxypropyl)-1,2-dihydro-2-imino-8-methyl-3-[(4-methylphenyl)sulfonyl]-
AO-022/43360169Z579069051-(3-ethoxypropyl)-2-imino-8-methyl-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one7-(3-ethoxypropyl)-6-imino-13-methyl-5-(4-methylbenzenesulfonyl)-1,7,9-triazatricyclo[8.4.0.0,3,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
데이터베이스 식별자
- CAS
606963-09-1- ChEMBL
CHEMBL1460113
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 1,100
화학 및 산업
공급사4 곳
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