기본 정보
- 표준 SMILES
CCN1c2ncc(COc3ccc4[nH]ccc4c3)cc2C(=O)N(C)c2ccc(Cl)nc21- InChIKey
VLBKMGQYEGOGLA-UHFFFAOYSA-N- 분자식
- C23H20ClN5O2
- 평균 분자량
- 433.9 g/mol
- 단동위원소 질량
- 433.1305526
이름 및 식별자
- 우선 이름
- 5-chloro-2-ethyl-13-[(1H-indol-5-yloxy)methyl]-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
- IUPAC
- 5-chloro-2-ethyl-13-(1H-indol-5-yloxymethyl)-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
이름 및 동의어
BDBM2042CHEMBL262184SCHEMBL6966275VLBKMGQYEGOGLA-UHFFFAOYSA-N2,8-disubstituted dipyridodiazepinone 252-chloro-11-ethyl-8-(1H-indol-5-yloxymethyl)-5-methyl-dipyrido[[?],[?]][1,4]diazepin-6-one2-Chloro-5,11-dihydro-11-ethyl-8-(5-indolyloxy)methyl-5-methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one2-chloro-5,11-dihydro-11-ethyl-8-(5-indolyloxy)methyl-5-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one5-chloro-2-ethyl-13-[(1H-indol-5-yloxy)methyl]-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one8-(5-Indolyloxy)methyl-2-chloro-5,11-dihydro-11-ethyl-5-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
데이터베이스 식별자
- PubChem CID
- 470692
- ChEMBL
CHEMBL262184- Nikkaji
- J992.970C
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 74.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 653
관련 반응
1건
화합물 노트
불러오는 중…