(E)-N-methyl-N-(2-methyl-1H-indol-3-yl methyl)-3-(8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)acrylamide
기본 정보
- 표준 SMILES
Cc1[nH]c2ccccc2c1CN(C)C(=O)/C=C/c1cnc2c(c1)CCCC(=O)N2- InChIKey
XTJYABLXOSBYPV-ZHACJKMWSA-N- 분자식
- C23H24N4O2
- 평균 분자량
- 388.5 g/mol
이름 및 식별자
- 우선 이름
- (E)-N-methyl-N-(2-methyl-1H-indol-3-yl methyl)-3-(8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)acrylamide
- IUPAC
- (E)-N-methyl-N-[(2-methyl-1H-indol-3-yl)methyl]-3-(8-oxo-5,6,7,9-tetrahydropyrido[2,3-b]azepin-3-yl)prop-2-enamide
이름 및 동의어
SCHEMBL726043XTJYABLXOSBYPV-ZHACJKMWSA-N(E)-N-methyl-N-(2-methyl-1H-indol-3-yl methyl)-3-(8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)acrylamide(E)-N-methyl-N-(2-methyl-1H-indol-3-ylmethyl)-3-(8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)acrylamide(E)-N-methyl-N-(2-methyl-1H-indol-3-ylmethyl)-3-(8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2.3-b]azepin-3-yl)acrylamide
데이터베이스 식별자
- PubChem CID
- 10023175
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 78.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 636
관련 반응
5건
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