기본 정보
- CAS
6150-46-5- 표준 SMILES
CCOc1ccc(C2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc(CCCO)nn32)cc1OC- InChIKey
ZBQRSQVTJIZDOR-UHFFFAOYSA-N- 분자식
- C26H31N5O4
- 평균 분자량
- 477.6 g/mol
- 단동위원소 질량
- 477.23760449
이름 및 식별자
- 우선 이름
- 7-(4-ethoxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
- IUPAC
- 7-(4-ethoxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
이름 및 동의어
6150-46-57-(4-ethoxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamideDTXSID00421958AKOS002384185AKOS0163844107-(4-ethoxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamideAS-871/42126979Z12223129517-(4-Ethoxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide7-(4-ethoxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
데이터베이스 식별자
- CAS
6150-46-5- PubChem CID
- 5220792
- DTXSID
DTXSID00421958
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 749
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